CID 11954007

2,5-dichloro-carboxymethylenebut-2-en-4-olide

Structural Information

Molecular Formula
C6H2Cl2O4
SMILES
C\1=C(C(=O)O/C1=C(\C(=O)O)/Cl)Cl
InChI
InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)/b4-3+
InChIKey
XJQKWSUIZRECMR-ONEGZZNKSA-N
Compound name
(2E)-2-chloro-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

207.93301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.940286 135.3
[M+Na]+ 230.922228 145.5
[M-H]- 206.925734 138.4
[M+NH4]+ 225.966833 155.2
[M+K]+ 246.896168 142.2
[M+H-H2O]+ 190.930270 132.9
[M+HCOO]- 252.931211 147.5
[M+CH3COO]- 266.946861 177.8
[M+Na-2H]- 228.907676 137.5
[M]+ 207.93246142 138.0
[M]- 207.93355858 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.